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(+)-(2R,3S,7S)-7-tert-Butyl-3-nitro-2-phenylbicyclo[3.3.1]nonan-9-one

View entire compound with spectra: 1 MS (GC)

(+)-(2R,3S,7S)-7-tert-Butyl-3-nitro-2-phenylbicyclo[3.3.1]nonan-9-one
SpectraBase Compound ID 9gJ7Uhdggo6
InChI InChI=1S/C19H25NO3/c1-19(2,3)14-9-13-10-16(20(22)23)17(15(11-14)18(13)21)12-7-5-4-6-8-12/h4-8,13-17H,9-11H2,1-3H3/t13-,14+,15+,16+,17+/m1/s1
InChIKey FEIRCMRIOHRXAN-XAJHFOFHSA-N
Mol Weight 315.41 g/mol
Molecular Formula C19H25NO3
Exact Mass 315.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIkoFxGNj5A
Name (+)-(2R,3S,7S)-7-tert-Butyl-3-nitro-2-phenylbicyclo[3.3.1]nonan-9-one
CAS Registry Number 101401-34-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO3
InChI InChI=1S/C19H25NO3/c1-19(2,3)14-9-13-10-16(20(22)23)17(15(11-14)18(13)21)12-7-5-4-6-8-12/h4-8,13-17H,9-11H2,1-3H3/t13-,14+,15+,16+,17+/m1/s1
InChIKey FEIRCMRIOHRXAN-XAJHFOFHSA-N
Molecular Weight 315.413 g/mol
SMILES [C@]1(N(=O)=O)([C@]([C@@]2(C[C@](C[C@@](C2=O)(C1)[H])(C(C)(C)C)[H])[H])(c1ccccc1)[H])[H]
SPLASH splash10-066u-9630000000-ebbfe58afe84479defeb
Source of Spectrum C-112-7636-16
Synonyms (2R,3S,7S)-7-tert-butyl-3-nitro-2-phenylbicyclo[3.3.1]nonan-9-one
Wiley ID 1316119